Geometry & MOs

Info

ID:	69127
PubChem CID:	46519324
Reduced:	FSO3N4H19C22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	422.078183
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	2.89
IP(EA), eV:	-9.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)F

DOS

IR

Vibrations